Find me an airline ticket to Paris, and we can work on it. :) Nicolas Vervelle wrote:
>[EMAIL PROTECTED] wrote: > > >>De: Bob Hanson <[EMAIL PROTECTED]> >> >> >> >> >>>The more I think about it, the more I think we have to do whatever >>>Daylight says we do. They must have thought about this. Do you want to >>>ask them about isotopes? My understanding -- maybe a place to start -- >>>is to ask if the following is correct: >>> >>> >>> >>I will check their website and their "specification" to see if they have >>answered this situation. >> >> >> >> >> >>>[C] matches any isotope of carbon, explicitly indicated or not. >>> >>> >>> >>For this one above, I am 100% sure, [C] means any isotope. >> >> >> >> >> >>>[12C] matches only explicitly labeled carbon-12. >>> >>> >>> >>This one is the problem and I am not sure we will have an answer. >> >> >> > >I have browsed daylight website, and I think that they have never >thought of using things like [12C] on molecule with unspecified isotope >numbers. >I believe they designed this for use case where the search pattern is >not more defined than the molecule. > >BTW, some time in the future, we should work on replacing the >SmilesParser by a SmartsParser (or add a SmartsParser) >Smiles is not really designed for pattern matching, it's rather Smarts, >but Smarts is a lot more complex to parse and then do the pattern matching. > >I think doing the pattern matching with SMARTS would need a good deal of >work > >Nico > > >------------------------------------------------------------------------- >Take Surveys. Earn Cash. Influence the Future of IT >Join SourceForge.net's Techsay panel and you'll get the chance to share your >opinions on IT & business topics through brief surveys -- and earn cash >http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV >_______________________________________________ >Jmol-developers mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-developers > > ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
